6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile

C16H16FN7O — CID 155792445

IUPAC6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCCCF)n1
InChIInChI=1S/C16H16FN7O/c1-10-13(14(19)24-16(22-10)20-9-21-24)7-12-4-3-11(8-18)15(23-12)25-6-2-5-17/h3-4,9H,2,5-7,19H2,1H3
InChIKeyFDXKASALGBOEHE-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.61
Rot. Bonds6

About 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile

6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile (PubChem CID 155792445) has the molecular formula C16H16FN7O and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile
PubChem CID155792445
Molecular FormulaC16H16FN7O
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCCCF)n1
InChIInChI=1S/C16H16FN7O/c1-10-13(14(19)24-16(22-10)20-9-21-24)7-12-4-3-11(8-18)15(23-12)25-6-2-5-17/h3-4,9H,2,5-7,19H2,1H3
InChIKeyFDXKASALGBOEHE-UHFFFAOYSA-N
XLogP1.61
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pexacerfont
CID 9884366
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
6-[[5-Bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376873
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
1-(1-Methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 139475244
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
Pyrazolo[1,5-a]-1,3,5-triazine, 13-13
CID 42618219
Pyrazolo[1,5-a]-1,3,5-triazine, 13-14
CID 42618220
Pyrazolo[1,5-a]-1,3,5-triazine, 13-17
CID 42618222
Pyrazolo[1,5-a]-1,3,5-triazine, 13-18
CID 42618223

Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile (CID 155792445) is 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile is Cc1nc2ncnn2c(N)c1Cc1ccc(C#N)c(OCCCF)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile?
The InChIKey is FDXKASALGBOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O/c1-10-13(14(19)24-16(22-10)20-9-21-24)7-12-4-3-11(8-18)15(23-12)25-6-2-5-17/h3-4,9H,2,5-7,19H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile has a molecular weight of 341.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]-2-(3-fluoropropoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 155792445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).